HRID2426621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78308

Pyridine, 2-chloro-5-nitro-

C5H3ClN2O2

结构：CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(NC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cc2)C1

HCID86594861

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC[C@H]1CCN(c2ccc(NC(=O)N3CCC(c4ccc(Cl)cc4)CC3)cn2)C1

HCID86594865

未命名化合物

PROCEDURE

实验过程

The synthetic sequence for preparing tert-butyl (R)-[1-(4-{[4-(4-chloro-phenyl)piperidin-1-carbonyl]amino}phenyl)pyrrolidin-3-yl]methylcarbamate was carried out starting from 2-chloro-5-nitropyridine instead of 4-fluoronitrobenzene. This resulted in the product with the molecular weight of 514.07 (C27H36CIN5O3); MS (ESI): 514 (M+H+).

WORKUP

后处理

customThis resulted in the product with the molecular weight of 514.07 (C27H36CIN5O3)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c37b40c41bb4e8db469653349e2abed
来源数据集: uspto-grants-2011_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07968550B2
来源说明: uspto-grants-2011_06

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:13][CH2:12][N:11]([C:14]([NH:16][C:17]3[CH:22]=C[C:20]([N:23]4[CH2:27][CH2:26][C@H:25]([CH2:28][NH:29][C:30](=[O:36])[O:31][C:32]([CH3:35])([CH3:34])[CH3:33])[CH2:24]4)=[CH:19][CH:18]=3)=[O:15])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.ClC1C=CC([N+]([O-])=O)=C[N:39]=1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]2[CH2:13][CH2:12][N:11]([C:14]([NH:16][C:17]3[CH:18]=[CH:19][C:20]([N:23]4[CH2:27][CH2:26][C@H:25]([CH2:28][NH:29][C:30](=[O:36])[O:31][C:32]([CH3:34])([CH3:35])[CH3:33])[CH2:24]4)=[N:39][CH:22]=3)=[O:15])[CH2:10][CH2:9]2)=[CH:6][CH:7]=1